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Black-box optimization methods play an important role in many fields of computational simulation. In particular, such methods are often used in the design and modelling of biological systems, including proteins and their complexes with…

Biomolecules · Quantitative Biology 2023-02-08 Dmitry Morozov , Artem Melnikov , Vishal Shete , Michael Perelshtein

The variational quantum eigensolver (VQE) is a promising algorithm for demonstrating quantum advantage in the noisy intermediate-scale quantum (NISQ) era. However, optimizing VQE from random initial starting parameters is challenging due to…

Quantum Physics · Physics 2023-10-20 Abid Khan , Bryan K. Clark , Norm M. Tubman

Variational quantum algorithms are a leading candidate for early applications on noisy intermediate-scale quantum computers. These algorithms depend on a classical optimization outer-loop that minimizes some function of a parameterized…

We introduce CL-QAS, a continual quantum architecture search framework that mitigates the challenges of costly amplitude encoding and catastrophic forgetting in variational quantum circuits. The method uses Tensor-Train encoding to…

Quantum Physics · Physics 2026-01-13 Jun Qi , Chao-Han Huck Yang , Pin-Yu Chen , Javier Tejedor , Ling Li , Min-Hsiu Hsieh

Quantum algorithms are getting extremely popular due to their potential to significantly outperform classical algorithms. Yet, applying quantum algorithms to optimization problems meets challenges related to the efficiency of quantum…

We consider the task of low-multilinear-rank functional regression, i.e., learning a low-rank parametric representation of functions from scattered real-valued data. Our first contribution is the development and analysis of an efficient…

Computation · Statistics 2018-09-26 Alex A. Gorodetsky , John D. Jakeman

We present a fully numerical framework for the optimization of molecule-specific quantum chemical basis functions within the quantics tensor train format using a finite-difference scheme. The optimization is driven by solving the…

Chemical Physics · Physics 2025-06-12 Paul Haubenwallner , Matthias Heller

Vanishing gradients can pose substantial obstacles for high-dimensional optimization problems. Here we consider energy minimization problems for quantum many-body systems with extensive Hamiltonians and finite-range interactions, which can…

Quantum Physics · Physics 2025-03-26 Thomas Barthel , Qiang Miao

Variational quantum algorithms involve training parameterized quantum circuits using a classical co-processor. An important variational algorithm, designed for combinatorial optimization, is the quantum approximate optimization algorithm.…

The variational approach is a cornerstone of computational physics, considering both conventional and quantum computing computational platforms. The variational quantum eigensolver (VQE) algorithm aims to prepare the ground state of a…

Quantum Physics · Physics 2022-12-16 Nikita Astrakhantsev , Guglielmo Mazzola , Ivano Tavernelli , Giuseppe Carleo

The Variational Quantum Eigensolver (VQE) is a leading hybrid quantum-classical algorithm for simulating many-body systems in the NISQ era. Its effectiveness, however, depends on the faithful preparation of eigenstates, which becomes…

Quantum Physics · Physics 2026-02-20 Ashutosh P. Tripathi , Nilmani Mathur , Vikram Tripathi

Analytical and practical evidence indicates the advantage of quantum computing solutions over classical alternatives. Quantum-based heuristics relying on the variational quantum eigensolver (VQE) and the quantum approximate optimization…

Quantum Physics · Physics 2023-01-05 Sarthak Gupta , Vassilis Kekatos

Variational Quantum Algorithms have emerged as a leading paradigm for near-term quantum computation. In such algorithms, a parameterized quantum circuit is controlled via a classical optimization method that seeks to minimize a…

Quantum Physics · Physics 2021-10-19 Javier Rivera-Dean , Patrick Huembeli , Antonio Acín , Joseph Bowles

Variational Quantum algorithms, especially Quantum Approximate Optimization and Variational Quantum Eigensolver (VQE) have established their potential to provide computational advantage in the realm of combinatorial optimization. However,…

Quantum Physics · Physics 2023-07-11 Dheeraj Peddireddy , Utkarsh Priyam , Vaneet Aggarwal

To determine the optimal set of hyperparameters of a Gaussian process based on a large number of training data, both a linear system and a trace estimation problem must be solved. In this paper, we focus on establishing numerical methods…

Optimization and Control · Mathematics 2023-12-27 Josie König , Max Pfeffer , Martin Stoll

Quantum circuits can be reduced through optimization to better fit the constraints of quantum hardware. One such method, initial-state dependent optimization (ISDO), reduces gate count by leveraging knowledge of the input quantum states.…

Variational quantum circuits characterise the state of a quantum system through the use of parameters that are optimised using classical optimisation procedures that typically rely on gradient information. The circuit-execution complexity…

Quantum Physics · Physics 2023-07-28 Sayantan Pramanik , Chaitanya Murti , M Girish Chandra

Currently available quantum computers suffer from constraints including hardware noise and a limited number of qubits. As such, variational quantum algorithms that utilise a classical optimiser in order to train a parameterised quantum…

Quantum Physics · Physics 2023-04-18 Samuel Duffield , Marcello Benedetti , Matthias Rosenkranz

The optimization algorithms for solving multi-parameter inverse problem for the mathematical model of parabolic equations arising in social networks, epidemiology and economy are investigated. The data fitting is formulated as optimization…

Optimization and Control · Mathematics 2019-06-13 Kabanikhin Sergey , Krivorotko Olga , Zhang Shuhua , Kashtanova Victoriya , Wang Yufang

Quantum algorithms are promising candidates for the enhancement of computational efficiency for a variety of computational tasks, allowing for the numerical study of physical systems intractable to classical computers. In the Noisy…

Quantum Physics · Physics 2021-05-13 Marco Majland , Nikolaj Thomas Zinner